2-(3-Methyl-4-nitro-1-pyrazolyl)acetonitrile - CAS 1006955-98-1
Catalog: |
BB000298 |
Product Name: |
2-(3-Methyl-4-nitro-1-pyrazolyl)acetonitrile |
CAS: |
1006955-98-1 |
Synonyms: |
2-(3-methyl-4-nitro-1-pyrazolyl)acetonitrile; 2-(3-methyl-4-nitropyrazol-1-yl)acetonitrile |
IUPAC Name: | 2-(3-methyl-4-nitropyrazol-1-yl)acetonitrile |
Description: | 2-(3-Methyl-4-nitro-1-pyrazolyl)acetonitrile (CAS# 1006955-98-1 ) is a useful research chemical. |
Molecular Weight: | 166.14 |
Molecular Formula: | C6H6N4O2 |
Canonical SMILES: | CC1=NN(C=C1[N+](=O)[O-])CC#N |
InChI: | InChI=1S/C6H6N4O2/c1-5-6(10(11)12)4-9(8-5)3-2-7/h4H,3H2,1H3 |
InChI Key: | SYQCRWHYOCTRFX-UHFFFAOYSA-N |
LogP: | 1.14648 |
Publication Number | Title | Priority Date |
AU-2012311184-A1 | Pyrrolopyrimidine and purine derivatives | 20110922 |
CA-2847540-A1 | Pyrrolopyrimidine and purine derivatives | 20110922 |
CA-2847540-C | Pyrrolopyrimidine and purine derivatives | 20110922 |
CN-103814030-A | Pyrrolopyrimidine and purine derivatives | 20110922 |
EP-2758402-B1 | Pyrrolopyrimidine and purine derivatives | 20110922 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04907545 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 87.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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